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Molecular_Structure:
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['1. Molar refractive index 17046 ', '2. Molar volume 4951 ', '3. Parachor （902K）13896 ', '4. Surface tension 62 ', '5. Dielectric constant N/A ', '6. Polarizability 6757 ', '7. Single isotope mass 665269692 Da ', '8. Nominal mass 665 Da ', '9. Average mass 6656903 Da']
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LogP:
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2.58
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Flash_Point:
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635.6±34.3 °C
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Refractive_Index:
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1.605
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FW:
|
665.690
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Density:
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1.3±0.1 g/cm3
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Bolling_Point:
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1127.3±65.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :7 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :14 ', '5. Isotope Atom Count :640 ', '6. TPSA 229 ', '7. Heavy Atom Count :48 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1260 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :4 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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PSA:
|
233.24000
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MF:
|
C33H39N5O10
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|
More_Info:
|
['1 . Appearance White 粉末 ', '2 . Density（g/mL, 20 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 10mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）不适用的 ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Soluble in DMSO']
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|
Vapor_Pressure:
|
0.0±0.3 mmHg at 25°C
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|
Exact_Mass:
|
665.269714
|
